==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-AUG-99 1C9T . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR U.RESTER,W.BODE,M.MOSER,M.A.PARRY,R.HUBER,E.AUERSWALD . 1656 12 66 66 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1065 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 529 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 30 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 176 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 6 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 24 17 23 40 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 18 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 16 A I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 107.9 33.5 -4.1 30.3 2 17 A V B 3 +A 171 0A 6 169,-2.3 169,-2.5 1,-0.2 123,-0.2 -0.610 360.0 1.3 -73.6 120.7 30.2 -2.8 31.7 3 18 A G T 3 S+ 0 0 35 121,-0.7 -1,-0.2 -2,-0.4 2,-0.2 0.968 99.9 131.4 67.6 60.9 27.6 -5.5 31.4 4 19 A G < - 0 0 37 -3,-0.6 2,-0.3 134,-0.1 134,-0.2 -0.646 51.9-110.0-129.5-172.4 29.5 -8.3 29.8 5 20 A Y E -B 137 0B 91 132,-2.5 132,-3.6 -2,-0.2 2,-0.1 -0.919 37.5 -98.4-123.0 148.9 30.2 -12.0 30.1 6 21 A T E -B 136 0B 66 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.435 26.7-148.6 -62.8 132.8 33.3 -13.8 31.2 7 22 A a - 0 0 18 128,-2.4 3,-0.2 -2,-0.1 -1,-0.2 0.897 35.3-172.8 -70.9 -37.7 35.1 -14.9 28.0 8 23 A G + 0 0 29 127,-0.6 3,-0.4 1,-0.2 2,-0.1 0.293 46.3 18.9 63.7 163.5 36.4 -17.9 29.8 9 24 A A S S- 0 0 92 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.197 119.7 -56.4 44.9-105.3 39.0 -20.6 28.7 10 25 A N S S+ 0 0 40 -3,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.507 77.4 133.0-172.1 92.3 40.7 -18.7 25.8 11 26 A T S S+ 0 0 87 -3,-0.4 3,-0.1 1,-0.1 -2,-0.1 0.252 76.1 60.4-124.0 1.2 38.8 -17.3 22.8 12 27 A V > + 0 0 5 1,-0.1 3,-1.2 87,-0.1 -1,-0.1 -0.589 60.2 153.7-129.9 65.9 40.5 -13.9 22.8 13 28 A P T 3 + 0 0 24 0, 0.0 38,-0.5 0, 0.0 88,-0.4 0.768 69.1 60.6 -65.6 -32.6 44.1 -15.1 22.2 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.0 88,-0.1 2,-0.2 0.398 81.7 111.2 -78.8 2.0 45.1 -11.8 20.7 15 30 A Q E < -K 28 0C 5 -3,-1.2 36,-0.7 13,-0.2 37,-0.3 -0.544 44.5-179.7 -79.3 143.7 44.2 -10.0 23.8 16 31 A V E -KL 27 50C 0 11,-1.6 11,-0.9 -2,-0.2 2,-0.5 -0.992 21.5-135.2-142.7 151.8 47.1 -8.4 25.8 17 32 A S E -KL 26 49C 0 32,-3.0 32,-3.2 -2,-0.3 2,-0.7 -0.910 13.0-143.8-109.5 128.7 47.3 -6.4 29.0 18 33 A L E -KL 25 48C 0 7,-2.3 6,-2.2 -2,-0.5 7,-1.1 -0.851 24.4-168.8 -94.8 117.4 49.5 -3.3 29.3 19 34 A N E +KL 23 47C 22 28,-3.1 28,-2.5 -2,-0.7 4,-0.2 -0.852 27.5 168.8-110.5 143.8 51.1 -3.1 32.7 20 37 A S S S- 0 0 34 2,-2.3 3,-0.1 -2,-0.3 26,-0.1 -0.401 95.0 -44.7-146.0 54.8 53.0 -0.3 34.4 21 38 A G S S+ 0 0 66 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.171 140.9 19.3 104.7 -33.3 53.1 -1.6 37.9 22 39 A Y S S- 0 0 58 -4,-0.1 -2,-2.3 0, 0.0 2,-0.2 -0.923 104.0 -73.4-155.7 166.9 49.5 -2.5 37.5 23 40 A H E +K 19 0C 14 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.494 53.4 153.5 -70.1 136.3 47.0 -3.1 34.6 24 41 A F E + 0 0 5 -6,-2.2 1350,-0.8 1,-0.4 2,-0.3 0.421 60.5 3.9-141.3 -7.2 46.0 0.2 32.9 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-2.3 1348,-0.1 -1,-0.4 -0.968 57.7-131.8-166.3 174.5 45.1 -0.7 29.3 26 43 A G E -K 17 0C 2 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.526 21.6-179.2-122.4-169.6 44.7 -3.5 26.9 27 44 A G E -K 16 0C 0 -11,-0.9 -11,-1.6 -2,-0.2 2,-0.4 -0.934 25.1-106.2 178.5 166.0 45.9 -4.0 23.3 28 45 A S E -KM 15 36C 1 8,-2.5 8,-2.6 -2,-0.3 2,-0.7 -0.904 23.4-127.2-114.9 141.7 45.8 -6.4 20.4 29 46 A L E + M 0 35C 0 -15,-2.0 74,-2.6 -2,-0.4 6,-0.2 -0.773 24.3 179.5 -86.2 112.8 48.6 -8.6 19.1 30 47 A I E - 0 0 19 4,-1.8 2,-0.2 -2,-0.7 5,-0.2 0.725 69.1 -28.2 -84.4 -26.0 49.0 -7.9 15.4 31 48 A N E > S- M 0 34C 48 3,-1.3 3,-2.6 70,-0.1 -1,-0.4 -0.826 88.0 -63.7 176.4 152.0 51.9 -10.4 15.0 32 49 A S T 3 S+ 0 0 38 1,-0.3 62,-3.7 -2,-0.2 60,-0.1 0.520 130.0 26.1 -11.0 -51.7 54.6 -12.0 17.1 33 50 A Q T 3 S+ 0 0 66 60,-0.3 57,-3.0 56,-0.1 2,-0.4 0.618 110.7 68.2-103.6 -13.0 56.5 -8.8 17.7 34 51 A W E < -MN 31 89C 8 -3,-2.6 -4,-1.8 55,-0.2 -3,-1.3 -0.900 49.0-170.6-116.8 146.2 53.9 -5.9 17.5 35 52 A V E -MN 29 88C 0 53,-2.7 53,-3.1 -2,-0.4 2,-0.3 -0.992 14.0-148.0-129.7 125.7 51.0 -4.9 19.6 36 53 A V E +MN 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.3 -0.742 31.8 149.6 -94.6 145.3 48.5 -2.2 18.5 37 54 A S E - N 0 86C 0 49,-2.7 49,-2.8 -2,-0.3 2,-0.5 -0.908 49.4 -62.0-158.9-177.8 46.8 0.0 21.1 38 55 A A > - 0 0 0 -12,-0.4 3,-2.7 -2,-0.3 47,-0.2 -0.690 39.0-138.5 -80.3 125.3 45.3 3.4 22.1 39 56 A A G > S+ 0 0 2 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.782 103.4 62.7 -54.1 -29.5 47.8 6.2 21.8 40 57 A H G 3 S+ 0 0 22 1,-0.3 -1,-0.3 41,-0.1 1331,-0.0 0.532 90.9 67.3 -75.0 -4.5 46.5 7.6 25.1 41 58 A b G < S+ 0 0 1 -3,-2.7 -1,-0.3 1332,-0.1 -2,-0.2 0.448 74.6 128.0 -88.4 -7.3 47.7 4.4 26.8 42 59 A Y < + 0 0 116 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.0 -0.259 29.4 160.4 -52.6 138.3 51.2 5.5 26.1 43 60 A K - 0 0 77 27,-0.0 3,-0.4 0, 0.0 2,-0.4 -0.957 48.5 -88.9-155.1 154.8 53.4 5.4 29.1 44 61 A S S S- 0 0 106 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.593 106.5 -0.8 -72.4 123.6 57.2 5.3 29.6 45 62 A G S S- 0 0 61 -2,-0.4 -1,-0.2 1,-0.1 2,-0.2 0.981 80.5-168.5 61.0 70.9 58.3 1.7 29.7 46 63 A I - 0 0 1 -3,-0.4 21,-1.5 21,-0.1 2,-0.5 -0.571 9.9-147.5 -87.2 149.5 55.2 -0.4 29.3 47 64 A Q E -LO 19 66C 84 -28,-2.5 -28,-3.1 -2,-0.2 2,-0.4 -0.982 10.8-142.5-122.2 125.4 55.2 -4.2 29.9 48 65 A V E -LO 18 65C 0 17,-2.8 17,-2.5 -2,-0.5 2,-0.6 -0.717 8.4-162.8 -90.7 127.3 53.0 -6.4 27.9 49 66 A R E -LO 17 64C 17 -32,-3.2 -32,-3.0 -2,-0.4 3,-0.3 -0.956 18.2-172.2-107.3 114.7 51.3 -9.4 29.5 50 67 A L E +LO 16 63C 0 13,-2.1 13,-0.8 -2,-0.6 -34,-0.2 -0.514 58.7 25.6-100.0 174.2 50.0 -11.8 26.8 51 69 A G S S+ 0 0 4 -36,-0.7 -1,-0.2 -38,-0.5 2,-0.2 0.788 82.6 166.0 42.3 39.6 47.8 -14.9 27.0 52 70 A E + 0 0 10 -37,-0.3 3,-0.2 -3,-0.3 -1,-0.2 -0.530 24.8 164.1 -85.0 150.2 46.2 -13.7 30.3 53 71 A D S S+ 0 0 43 1,-0.6 82,-0.9 4,-0.3 2,-0.5 0.498 81.9 20.9-122.6 -67.8 43.1 -15.2 31.8 54 72 A N B S-Q 134 0D 21 3,-0.4 -1,-0.6 80,-0.2 2,-0.5 -0.894 74.5-145.6-105.5 126.0 43.2 -13.8 35.3 55 73 A I S S+ 0 0 18 78,-2.2 -32,-0.2 -2,-0.5 3,-0.1 -0.154 95.3 39.0 -85.9 42.6 45.4 -10.7 35.6 56 74 A N S S+ 0 0 108 -2,-0.5 2,-0.3 1,-0.5 -1,-0.2 0.351 108.3 56.3-152.8 -37.1 46.6 -11.7 39.1 57 75 A V S S- 0 0 77 76,-0.1 2,-1.8 2,-0.0 -1,-0.5 -0.812 89.2-107.2-108.1 148.8 47.1 -15.4 39.1 58 76 A V - 0 0 103 -2,-0.3 2,-2.1 1,-0.1 4,-0.1 -0.527 37.7-174.3 -74.7 83.8 49.4 -17.4 36.8 59 77 A E - 0 0 86 -2,-1.8 2,-2.2 -5,-0.4 -1,-0.1 -0.442 55.1 -87.2 -80.9 67.6 46.7 -19.1 34.7 60 78 A G S S+ 0 0 67 -2,-2.1 2,-0.6 -7,-0.0 -1,-0.1 -0.431 117.6 70.6 68.9 -80.3 49.0 -21.3 32.7 61 79 A N + 0 0 40 -2,-2.2 2,-0.4 -10,-0.2 -2,-0.3 -0.593 61.8 162.0 -74.1 114.2 49.8 -18.8 29.9 62 80 A E + 0 0 46 -2,-0.6 2,-0.4 -4,-0.1 -11,-0.1 -0.941 4.3 160.6-139.4 113.2 52.0 -16.1 31.4 63 81 A Q E +O 50 0C 36 -13,-0.8 -13,-2.1 -2,-0.4 2,-0.7 -0.857 10.5 179.1-139.5 101.8 54.1 -13.8 29.3 64 82 A F E +O 49 0C 116 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.912 16.0 174.1-101.2 113.4 55.5 -10.5 30.6 65 83 A I E -O 48 0C 21 -17,-2.5 -17,-2.8 -2,-0.7 2,-0.1 -0.979 27.8-126.9-123.3 135.6 57.6 -8.8 27.8 66 84 A S E -O 47 0C 43 -2,-0.4 25,-3.1 -19,-0.2 2,-0.5 -0.401 28.1-115.0 -75.4 154.8 59.1 -5.4 27.9 67 85 A A E -P 90 0C 18 -21,-1.5 23,-0.3 23,-0.3 3,-0.1 -0.827 23.0-169.0 -95.0 124.8 58.3 -3.0 25.0 68 86 A S E S+ 0 0 68 21,-2.7 2,-0.4 -2,-0.5 -1,-0.2 0.992 77.4 13.2 -71.6 -70.2 61.3 -1.9 22.8 69 87 A K E - 0 0 84 20,-0.4 20,-2.8 154,-0.1 2,-0.6 -0.898 61.1-165.5-111.4 133.4 59.7 0.9 20.8 70 88 A S E -P 88 0C 30 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.842 17.4-168.9-116.8 87.3 56.4 2.5 21.8 71 89 A I E -P 87 0C 41 16,-2.1 16,-3.2 -2,-0.6 2,-0.2 -0.716 2.7-161.1 -87.1 108.2 55.5 4.4 18.6 72 90 A V E -P 86 0C 46 -2,-0.8 14,-0.2 14,-0.3 12,-0.1 -0.548 35.8 -91.3 -84.3 146.7 52.5 6.8 19.0 73 91 A H > - 0 0 22 12,-2.1 3,-2.3 10,-0.2 2,-0.2 -0.466 34.1-127.2 -63.0 131.0 50.6 8.1 16.0 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.272 105.2 38.9 -58.6 3.4 52.2 11.4 14.7 75 93 A S T 3 S+ 0 0 71 8,-0.2 7,-0.1 -2,-0.2 9,-0.1 0.253 76.0 138.2-138.0 5.5 48.9 13.3 14.7 76 94 A Y < - 0 0 56 -3,-2.3 2,-0.7 9,-0.1 7,-0.2 -0.370 43.9-148.4 -56.8 127.7 47.3 11.9 17.8 77 95 A N B >> -R 82 0E 70 5,-2.2 4,-2.7 1,-0.1 5,-0.5 -0.916 6.0-155.3-105.9 109.7 45.6 14.9 19.5 78 96 A S T 45S+ 0 0 77 -2,-0.7 -1,-0.1 2,-0.2 1312,-0.1 0.634 93.3 46.8 -55.2 -17.4 45.6 14.5 23.3 79 97 A N T 45S+ 0 0 135 3,-0.1 -1,-0.2 1310,-0.0 -2,-0.0 0.915 121.8 27.9 -90.1 -63.0 42.6 16.8 23.4 80 98 A T T 45S- 0 0 74 1,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.677 94.8-134.2 -72.1 -15.7 40.2 15.6 20.7 81 99 A L T ><5 + 0 0 15 -4,-2.7 3,-0.7 1,-0.3 2,-0.3 0.819 50.3 157.1 62.3 31.2 41.5 12.0 21.0 82 100 A N B 3 < +R 77 0E 37 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.697 63.4 18.8 -85.5 141.8 41.6 12.0 17.2 83 101 A N T 3 S+ 0 0 22 -2,-0.3 2,-1.9 1,-0.2 -1,-0.3 0.898 77.8 176.4 65.5 39.4 44.1 9.5 15.8 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.605 34.0 118.3 -76.1 80.6 44.1 7.6 19.1 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.2 2,-0.3 -0.968 34.1 174.1-149.7 136.6 46.4 4.8 17.9 86 104 A M E -NP 37 72C 0 -49,-2.8 -49,-2.7 -2,-0.3 2,-0.4 -0.992 20.0-140.4-144.7 145.0 49.9 3.6 19.0 87 105 A L E -NP 36 71C 0 -16,-3.2 -16,-2.1 -2,-0.3 2,-0.4 -0.920 13.2-159.8-111.4 136.3 52.1 0.7 18.0 88 106 A I E -NP 35 70C 0 -53,-3.1 -53,-2.7 -2,-0.4 2,-0.5 -0.913 3.5-155.3-115.8 135.0 54.2 -1.3 20.5 89 107 A K E -N 34 0C 33 -20,-2.8 -21,-2.7 -2,-0.4 -20,-0.4 -0.970 19.8-131.5-112.0 125.0 57.2 -3.4 19.6 90 108 A L E - 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